SCHEMBL876522

SCHEMBL876522

O=C1NC(c2cccnc2)=C(c2ccccc2)C(c2ccc(-c3nn[nH]n3)cc2)N1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ADH5 P11766 6/20 0.47
TACR3 P29371 2/20 0.47
PTGS2 P35354 1/20 0.44
HTT P42858 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.39
XDH P47989 1/20 0.39
MAPK10 P53779 1/20 0.38
CAMK2D Q13557 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL877319 0.90 HTT (0.50) ADH5PTGS2HTTMAPTKDM4E
SCHEMBL876489 0.89 ADH5 (0.51) CYP2A6ADH5TACR3PTGS2HTT
SCHEMBL368668 0.83 CYP2A6 (0.49) CYP2A6ADH5PTGS2HPGDSPPARA
SCHEMBL876450 0.73 ADH5 (0.54) ADH5TACR3HTTMAPTKDM4E
SCHEMBL2485944 0.70 CYP2A6 (1.00) CYP2A6ADH5HTTMAPTKDM4E
SCHEMBL29394988 0.70 CYP2A6 (1.00) CYP2A6ADH5HTTMAPTKDM4E
SCHEMBL872887 0.69 ALDH1A1 (0.54) ADH5TACR3HTTMAPTKDM4E
Ammonia Solution, Strong SCHEMBL1733225 0.69 CYP2A6 (0.96) CYP2A6ADH5HTTMAPTKDM4E
SCHEMBL1516291 0.69 ALDH1A1 (0.65) ADH5TACR3HTTMAPTKDM4E
SCHEMBL367942 0.67 CREBBP (0.41) ADH5PTGS2HPGDSXDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US claimed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US claimed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US claimed
US-8906933-B2 Dihydropyrimidin-2(1H)-one compounds as neurokinin-3 receptor antagonists N30 PHARMACEUTICALS, INC. (US) 2014-12-09 US claimed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US claimed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US claimed
EP-2618666-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 Pharmaceuticals, Inc. (US) 2013-07-31 EP claimed
US-20130131093-A1 Novel Dihydropyrimidin-2(1H)-One Compounds As Neurokinin-3 Receptor Antagonists N30 PHARMACEUTICALS, INC. (US) 2013-05-23 US claimed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US claimed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP claimed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO claimed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO claimed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2012039718-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS NEUROKININ-3 RECEPTOR ANTAGONISTS N30 PHARMACEUTICALS, LLC (US) 2012-03-29 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 CYP2A6 497/4885ADH5 103/4885TACR3 500/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 CYP2A6 497/4885ADH5 103/4885TACR3 500/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 CYP2A6 497/4885ADH5 103/4885TACR3 500/4885
US-20130131093-A1 Novel Dihydropyrimidin-2(1H)-One Compounds As Neurokinin-3 Receptor Antagonists TAC3, TACR2, TACR3 CYP2A6 4005/4885ADH5 2365/4885TACR3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.